| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:41:41 UTC |
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| Update Date | 2025-03-24 21:44:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01876199 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | CC(=O)C(=C=O)N(C)C |
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| InChI Key | BRNKJKDCBKZDNN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-amino ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundstrialkylaminesynolates |
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| Substituents | aliphatic acyclic compoundtertiary aliphatic amineorganic oxidealpha-aminoketoneynolateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundaminetertiary amineenone |
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